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Home > Imidazoles > 945389-44-6
945389-44-6 | 2-(3,4-dihydro-2H-1-benzopyran-4-yl)-1H-imidazole
CAS No: 945389-44-6 Catalog No: AG01BUTP MDL No:MFCD24604805
Product Description
Catalog Number:
AG01BUTP
Chemical Name:
2-(3,4-dihydro-2H-1-benzopyran-4-yl)-1H-imidazole
CAS Number:
945389-44-6
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD24604805
IUPAC Name:
2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
InChI:
InChI=1S/C12H12N2O/c1-2-4-11-9(3-1)10(5-8-15-11)12-13-6-7-14-12/h1-4,6-7,10H,5,8H2,(H,13,14)
InChI Key:
KWVOBFORBZSISP-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C(CCO2)c1ncc[nH]1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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